SCHEMBL18819656

SCHEMBL18819656

Cn1c2c(c(=O)[nH]c1=O)N(CC(F)(F)F)CN2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.35
▸ GFER P55789 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15075698 0.80 EPHX2 (0.39) EPHX2GFER
SCHEMBL18819094 0.78 EPHX2 (0.34) EPHX2GFERMEN1KMT2ASMN1; SMN2
SCHEMBL15075645 0.77 ALDH1A1 (0.39) EPHX2GFERSMN1; SMN2
SCHEMBL15075715 0.75 EPHX2 (0.35) EPHX2GFER
SCHEMBL18819443 0.75 EPHX2 (0.41) EPHX2GFER
SCHEMBL18819722 0.70 EPHX2 (0.37) EPHX2GFERMEN1KMT2A
SCHEMBL9393796 0.61 EPHX2 (0.35) EPHX2GFER
SCHEMBL28120181 0.60 AR (0.31) —
SCHEMBL18255882 0.60 PDE2A (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL18819567 0.59 EPHX2 (0.35) EPHX2GFER

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 — — WO disclosed
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